1QX

dodecyl hydrogen (S)-(3-azidopropyl)phosphonate

Created:	2013-05-01
Last modified:	2024-09-27

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Chemical Details
Formal Charge	0
Atom Count	54
Chiral Atom Count	0
Bond Count	53
Aromatic Bond Count	0

2D diagram of 1QX

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Chemical Component Summary
Name	dodecyl hydrogen (S)-(3-azidopropyl)phosphonate
Systematic Name (OpenEye OEToolkits)	3-azidopropyl(dodecoxy)phosphinic acid
Formula	C₁₅ H₃₂ N₃ O₃ P
Molecular Weight	333.407
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	[N-]=[N+]=N\CCCP(=O)(OCCCCCCCCCCCC)O
SMILES	CACTVS	3.370	CCCCCCCCCCCCO[P](O)(=O)CCCN=[N+]=[N-]
SMILES	OpenEye OEToolkits	1.7.6	CCCCCCCCCCCCOP(=O)(CCCN=[N+]=[N-])O
Canonical SMILES	CACTVS	3.370	CCCCCCCCCCCCO[P](O)(=O)CCCN=[N+]=[N-]
Canonical SMILES	OpenEye OEToolkits	1.7.6	CCCCCCCCCCCCOP(=O)(CCCN=[N+]=[N-])O
InChI	InChI	1.03	InChI=1S/C15H32N3O3P/c1-2-3-4-5-6-7-8-9-10-11-14-21-22(19,20)15-12-13-17-18-16/h2-15H2,1H3,(H,19,20)
InChIKey	InChI	1.03	AGXZEEFRFDZECI-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	137347981

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